Benzenemethanamine, N-[3-methyl-1-(2-propenyl)-2-butenyl]-

Base Information

• Chemical Name: Benzenemethanamine, N-[3-methyl-1-(2-propenyl)-2-butenyl]-
• CAS No.: 111865-53-3
• Molecular Formula: C15H21N
• Molecular Weight: 215.338
• DSSTox Substance ID: DTXSID20454682
• Nikkaji Number: J1.063.002I
• Mol file: 111865-53-3.mol

Synonyms:111865-53-3;Benzenemethanamine, N-[3-methyl-1-(2-propenyl)-2-butenyl]-;SCHEMBL7195284;DTXSID20454682;OSHFYFRAZVLWMO-UHFFFAOYSA-N;(1-allyl-3-methyl-but-2-enyl)benzylamine;N-(1-Allyl-3-methyl-2-butenyl)benzenemethanamine

Chemical Property of Benzenemethanamine, N-[3-methyl-1-(2-propenyl)-2-butenyl]-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 215.167399674
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(CC=C)NCC1=CC=CC=C1)C

Technology Process of Benzenemethanamine, N-[3-methyl-1-(2-propenyl)-2-butenyl]-

There total 3 articles about Benzenemethanamine, N-[3-methyl-1-(2-propenyl)-2-butenyl]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

N-benzyl-(3-methylbut-2-enylidene)amine (111865-48-6) + allyl bromide (106-95-6) → (1-allyl-3-methyl-but-2-enyl)benzylamine (111865-53-3)

Guidance literature:

With tetrabutylammomium bromide; cadmium; In tetrahydrofuran; for 12h; Ambient temperature;

DOI:10.1016/S0040-4039(00)61288-1

Reference yield: 53.0%

benzyl-(3-methyl-but-2-enylidene)amine (111865-48-6) + allyl bromide (106-95-6) → (1-allyl-3-methyl-but-2-enyl)benzylamine (111865-53-3)

Guidance literature:

With boron trifluoride diethyl etherate; aluminium; lead(II) bromide; In diethyl ether; for 12h; Ambient temperature;

DOI:10.1246/cl.1987.673

Reference yield:

3-(tert-butyl)-2,2-dimethylhex-5-en-3-ol (754-56-3) + benzyl-(3-methyl-but-2-enylidene)amine (111865-48-6) → (1-allyl-3-methyl-but-2-enyl)benzylamine (111865-53-3)

Guidance literature:

With n-butyllithium; zinc dibromide; Yield given. Multistep reaction; 1.) THF, pentane, 0 deg C, 15 min, 2.) THF, room temperature, 1 h;

DOI:10.1021/jo981623m

upstream raw materials:

N-benzyl-(3-methylbut-2-enylidene)amine

allyl bromide

benzyl-(3-methyl-but-2-enylidene)amine

3-(tert-butyl)-2,2-dimethylhex-5-en-3-ol